CID 46204204

868736-42-9

Structural Information

Molecular Formula
C11H13ClN2O3
SMILES
CC(C)(C)OC(=O)NC1=NC=CC(=C1C=O)Cl
InChI
InChI=1S/C11H13ClN2O3/c1-11(2,3)17-10(16)14-9-7(6-15)8(12)4-5-13-9/h4-6H,1-3H3,(H,13,14,16)
InChIKey
QWVXQYZWGQFXPU-UHFFFAOYSA-N
Compound name
tert-butyl N-(4-chloro-3-formylpyridin-2-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

171
Patents

256.06146 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.06874 155.0
[M+Na]+ 279.05068 166.7
[M+NH4]+ 274.09528 161.2
[M+K]+ 295.02462 161.8
[M-H]- 255.05418 155.0
[M+Na-2H]- 277.03613 160.1
[M]+ 256.06091 156.8
[M]- 256.06201 156.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe